3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Openeye Name: 3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one CAS Name: 3-(4-ethoxyanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-(2,4,5-trimethylphenyl)-2-propen-1-one IUPAC Name: 3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Traditional Name: 3-mercapto-3-(p-phenetidino)-2-pyridin-1-ium-1-yl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2C)C)C)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2C)C)C)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C25H26N2O2S/c1-5-29-21-11-9-20(10-12-21)26-25(30)23(27-13-7-6-8-14-27)24(28)22-16-18(3)17(2)15-19(22)4/h6-16H,5H2,1-4H3,(H-,26,28,30)/p+1